Basic information
- CAS
92527-68-9- Standard SMILES
CC(=O)CCCC(C)(O)COCc1ccccc1- InChIKey
YJAHBENKHLLFMM-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 7-(Benzyloxy)-6-hydroxy-6-methylheptan-2-one
- IUPAC
- 6-hydroxy-6-methyl-7-phenylmethoxyheptan-2-one
Names & synonyms
92527-68-97-(Benzyloxy)-6-hydroxy-6-methylheptan-2-oneDTXSID20537762
Database identifiers
- CAS
92527-68-9- PubChem CID
- 13347366
- DTXSID
DTXSID20537762
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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